N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide

C27H22N6O2 — CID 19141820

IUPACN'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
SMILESNc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Oc1cccc2cccnc12
InChIInChI=1S/C27H22N6O2/c28-23-25(30-17-31-27(23)35-21-15-7-13-20-14-8-16-29-24(20)21)32-33-26(34)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,22H,28H2,(H,33,34)(H,30,31,32)
InChIKeyHFDYFRNGQAWONT-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.67
Rot. Bonds7

About N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide

N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide (PubChem CID 19141820) has the molecular formula C27H22N6O2 and a molecular weight of 462.51 g/mol. Its IUPAC name is N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
PubChem CID19141820
Molecular FormulaC27H22N6O2
Molecular Weight462.51 g/mol
Exact Mass462.18
IUPAC NameN'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
SMILESNc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Oc1cccc2cccnc12
InChIInChI=1S/C27H22N6O2/c28-23-25(30-17-31-27(23)35-21-15-7-13-20-14-8-16-29-24(20)21)32-33-26(34)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,22H,28H2,(H,33,34)(H,30,31,32)
InChIKeyHFDYFRNGQAWONT-UHFFFAOYSA-N
XLogP4.67
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide
CID 19141803
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19152171
N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152184
4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 22547806
N'-[5-amino-6-(2,2-dimethylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145603
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152176
4-propan-2-yloxy-6-quinolin-8-yloxypyrimidin-5-amine
CID 19141825
4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141774
4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141836
N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide
CID 23493849
4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141861
4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19135970

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide?
The IUPAC name of N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide (CID 19141820) is N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide is Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Oc1cccc2cccnc12.
What is the InChIKey of N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide?
The InChIKey is HFDYFRNGQAWONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O2/c28-23-25(30-17-31-27(23)35-21-15-7-13-20-14-8-16-29-24(20)21)32-33-26(34)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,22H,28H2,(H,33,34)(H,30,31,32).
What are the key properties of N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide?
N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide has a molecular weight of 462.51 g/mol, XLogP of 4.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide is sourced from PubChem (CID 19141820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).